tert-butyl 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoate hydrobromide

Systemtic Name: tert-butyl 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoate hydrobromide Openeye Name: tert-butyl 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetate hydrobromide CAS Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetic acid tert-butyl ester hydrobromide IUPAC Name: tert-butyl 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetate hydrobromide Traditional Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetic acid tert-butyl ester hydrobromide Formula: C13H16BrClN2O2S MolecularWeight: 379.70034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(N1)C=C(C=C2)Cl.Br

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(N1)C=C(C=C2)Cl.Br

InChI

InChI=1S/C13H15ClN2O2S.BrH/c1-13(2,3)18-11(17)7-19-12-15-9-5-4-8(14)6-10(9)16-12;/h4-6H,7H2,1-3H3,(H,15,16);1H